| CAS Number | 68969-82-4 |
| Catalog Number | AG01B6E2(AGN-PC-0WALWB) |
| Chemical Name | (3-aminophenyl)methyl acetate |
| IUPAC Name | (3-aminophenyl)methyl acetate |
| InChI | InChI=1S/C9H11NO2/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6,10H2,1H3 |
| InChI Key | BLDCMJILHPESIY-UHFFFAOYSA-N |
| MDL Number | MFCD14156077 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | C(C)(=O)OCC1=CC(=CC=C1)N |
| Synonyms | (3-aminophenyl)methyl acetate,
68969-82-4,
SCHEMBL6597806,
ZINC91365381,
3-aminobenzylacetate,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number